SCHEMBL446450

SCHEMBL446450

CCC(CO)C(CO)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
OR51E2 Q9H255 1/20 0.36
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
FFAR3 O14843 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3080195 0.84 OR51E2 (0.43) LMNATDP1OR51E2SLC1A3SLC1A2
SCHEMBL20838339 0.82 TDP1 (0.40) LMNATDP1OR51E2CHRM1AKR1A1
SCHEMBL4819685 0.79 TDP1 (0.42) TDP1OR51E2CHRM1AKR1A1CHRM3
SCHEMBL30389848 0.77 LMNA (0.41) LMNATDP1OR51E2CHRM1AKR1A1
SCHEMBL4618656 0.76 TDP1 (0.43) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5078843 0.75 LMNA (0.39) LMNATDP1OR51E2CHRM1AKR1A1
SCHEMBL7438077 0.75 LMNA (0.44) LMNATDP1OR51E2CHRM1AKR1A1
SCHEMBL22463680 0.75 OR51E2 (0.36) TDP1OR51E2PDE4A
SCHEMBL18313246 0.75 ACE (0.43) TDP1OR51E2CHRM1AKR1A1CHRM3
SCHEMBL27677822 0.75 OR51E2 (0.42) LMNATDP1OR51E2CHRM1AKR1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580705-B2 DHAD variants and methods of screening BUTAMAX ADVANCED BIOFUELS LLC (US) 2017-02-28 US claimed
WO-2014151190-A1 DHAD VARIANTS AND METHODS OF SCREENING BUTAMAX ADVANCED BIOFUELS LLC (US) 2014-09-25 WO claimed
US-20140273116-A1 DHAD VARIANTS AND METHODS OF SCREENING BUTAMAX ADVANCED BIOFUELS LLC (US) 2014-09-18 US claimed
WO-2014106107-A2 DHAD VARIANTS FOR BUTANOL PRODUCTION BUTAMAX (TM) ADVANCED BIOFUELS LLC (US) 2014-07-03 WO claimed
US-20140186910-A1 DHAD Variants for Butanol Production BUTAMAXTM ADVANCED BIOFUELS LLC (US) 2014-07-03 US claimed
US-10308964-B2 Activity of Fe—S cluster requiring proteins BUTAMAX ADVANCED BIOFUELS LLC (US) 2019-06-04 US disclosed
US-10287566-B2 DHAD variants and methods of screening BUTAMAX ADVANCED BIOFUELS LLC (US) 2019-05-14 US disclosed
EP-2536821-B1 IMPROVING ACTIVITY OF FE-S CLUSTER REQUIRING PROTEINS BUTAMAX TM ADVANCED BIOFUELS (US) 2018-06-13 EP disclosed
US-9909149-B2 DHAD variants for butanol production BUTAMAX ADVANCED BIOFUELS LLC (US) 2018-03-06 US disclosed
US-20170226497-A1 DHAD Variants and Methods of Screening GEVO, INC. 2017-08-10 US disclosed
US-20170218405-A1 DHAD Variants for Butanol Production GEVO, INC. 2017-08-03 US disclosed
US-9650624-B2 DHAD variants for butanol production BUTAMAX ADVANCED BIOFUELS LLC (US) 2017-05-16 US disclosed
WO-2010037119-A1 ENHANCED IRON-SULFUR CLUSTER FORMATION FOR INCREASED DIHYDROXY-ACID DEHYDRATASE ACTIVITY IN LACTIC ACID BACTERIA Butamax™ Advanced Biofuels LLC (US) 2010-04-01 WO disclosed
US-20100081154-A1 IDENTIFICATION AND USE OF BACTERIAL [2Fe-2S] DIHYDROXY-ACID DEHYDRATASES BUTAMAX(TM) ADVANCED BIOFUELS LLC (US) 2010-04-01 US disclosed
US-20100081154-A1 IDENTIFICATION AND USE OF BACTERIAL [2Fe-2S] DIHYDROXY-ACID DEHYDRATASES BUTAMAX(TM) ADVANCED BIOFUELS LLC (US) 2010-04-01 US disclosed
WO-2010037105-A1 ENHANCED DIHYDROXY-ACID DEHYDRATASE ACTIVITY IN LACTIC ACID BACTERIA Butamax™ Advanced Biofuels LLC (US) 2010-04-01 WO disclosed
US-20100081182-A1 ENHANCED IRON-SULFUR CLUSTER FORMATION FOR INCREASED DIHYDROXY-ACID DEHYDRATASE ACTIVITY IN LACTIC ACID BACTERIA BUTAMAX(TM) ADVANCED BIOFUELS LLC (US) 2010-04-01 US disclosed
WO-2010037112-A1 IDENTIFICATION AND USE OF BACTERIAL [2Fe-2S] DIHYDROXY-ACID DEHYDRATASES Butamax™ Advanced Biofuels LLC (US) 2010-04-01 WO disclosed
WO-2010037112-A1 IDENTIFICATION AND USE OF BACTERIAL [2Fe-2S] DIHYDROXY-ACID DEHYDRATASES Butamax™ Advanced Biofuels LLC (US) 2010-04-01 WO disclosed
US-20100081183-A1 ENHANCED DIHYDROXY-ACID DEHYDRATASE ACTIVITY IN LACTIC ACID BACTERIA BUTAMAX(TM) ADVANCED BIOFUELS LLC (US) 2010-04-01 US disclosed